[QE-users] Query regarding vdW-DF2 functional

Lorenzo Paulatto paulatz at gmail.com
Mon Sep 21 11:31:24 CEST 2020


>   K_POINTS automatic
>    12 12 1 0 0 0
> 
k-point grid which have a dimension multiple of 3 are a frequent cause 
of troubles for graphene. Also, this is probably too coarse.

hth

-- 
Lorenzo Paulatto - Paris


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